Analyte Name

Noribogaine Glucuronide Sodium

Molecular Formula

C25 H31 N2 Na O7

Molecular Weight

494.51

Accurate Mass

494.2

SMILES

CC[C@H]1C[C@]2([H])C[C@@]([C@@]1([H])[N@](C2)CC3)([H])C4=C3C5=CC(O[C@@H]6O[C@H](C(O[Na])=O)[C@@H](O)[C@H](O)[C@H]6O)=CC=C5N4

InChI

InChI=1S/C25H32N2O7.Na/c1-2-12-7-11-8-16-18-14(5-6-27(10-11)19(12)16)15-9-13(3-4-17(15)26-18)33-25-22(30)20(28)21(29)23(34-25)24(31)32;/h3-4,9,11-12,16,19-23,25-26,28-30H,2,5-8,10H2,1H3,(H,31,32);/q;+1/p-1/t11-,12+,16+,19+,20+,21+,22-,23+,25-;/m1./s1

IUPAC

[(2S,3S,4S,5R,6S)-6-[[(1R,13S,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]oxysodium

Alternate CAS Number

Free acid: 1628118-68-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat